Browsing by Author Hoft, RC

Showing results 1 to 15 of 15
Issue DateTitleAuthor(s)
16-Jan-2008The effect of stretching thiyl- and ethynyl-Au molecular junctionsHoft, RC; Ford, MJ; García-Suárez, VM; Lambert, CJ; Cortie, MB
15-Dec-2007Electron tunneling in the presence of adsorbed moleculesHoft, RC; Ford, MJ; Cortie, MB
1-Oct-2007Exploring the performance of molecular rectifiers: Limitations and factors affecting molecular rectificationArmstrong, N; Hoft, RC; McDonagh, A; Cortie, MB; Ford, MJ
20-Sep-2007Adsorption of amine compounds on the Au(111) surface: A density functional studyHoft, RC; Ford, MJ; McDonagh, AM; Cortie, MB
1-Sep-2007The effect of reciprocal-space sampling and basis set quality on the calculated conductance of a molecular junctionHoft, RC; Ford, MJ; Cortie, MB
30-May-2007Ab initio and empirical studies on the asymmetry of molecular current-voltage characteristicsHoft, RC; Armstrong, N; Ford, MJ; Cortie, MB
2007Modelling electron tunnelling in the presence of adsorbed materialsHoft, RC
1-Dec-2006Adsorption of benzene on copper, silver, and gold surfacesBilić, A; Reimers, JR; Hush, NS; Hoft, RC; Ford, MJ
1-Dec-2006Adsorption and dimerisation of thiol molecules on Au(111) using a Z-matrix approach in density functional theoryFord, MJ; Hoft, RC; Gale, JD
1-Dec-2006A new class of self-assembled monolayers on gold using an alkynyl group as a linkerFord, MJ; Hoft, RC; Gale, JD; McDonagh, AM
1-Dec-2006Effect of dipole moment on current-voltage characteristics of single moleculesHoft, RC; Ford, MJ; Cortie, MB
5-Oct-2006Prediction of increased tunneling current by bond length stretch in molecular break junctionsHoft, RC; Ford, MJ; Cortie, MB
1-Jul-2006Implementation of a Z-matrix approach within the SIESTA periodic boundary conditions code and its application to surface adsorptionHoft, RC; Gale, JD; Ford, MJ
31-Mar-2006Electron tunneling through alkanedithiol moleculesHoft, RC; Liu, J; Cortie, MB; Ford, MJ
3-Nov-2005Theoretical study of ethynylbenzene adsorption on Au(111) and implications for a new class of self-assembled monolayerFord, MJ; Hoft, RC; McDonagh, A